CID 3067522

Brn 5169856

Structural Information

Molecular Formula
C18H18N4O6S
SMILES
CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H18N4O6S/c1-19-15(23)18(26)22-29(27,28)14-9-7-13(8-10-14)21-17(25)16(24)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKey
VZMGDFMBDVYQOY-UHFFFAOYSA-N
Compound name
N'-[4-[[2-(benzylamino)-2-oxoacetyl]amino]phenyl]sulfonyl-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.0947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10198 193.6
[M+Na]+ 441.08392 195.5
[M-H]- 417.08742 199.3
[M+NH4]+ 436.12852 201.6
[M+K]+ 457.05786 193.1
[M+H-H2O]+ 401.09196 184.2
[M+HCOO]- 463.09290 211.8
[M+CH3COO]- 477.10855 228.0
[M+Na-2H]- 439.06937 196.4
[M]+ 418.09415 194.3
[M]- 418.09525 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.